A General Framework for Modelling Association Formulated in Terms of Bond Sites
The general association model [1] has been adapted to describe association between bond sites rather than whole molecules. The resulting formulation permits a large range of different association schemes to be incorporated into a single framework. The model allows association strengths to vary for d...
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Veröffentlicht in: | Fluid phase equilibria 2022-10, Vol.561, p.113534, Article 113534 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | The general association model [1] has been adapted to describe association between bond sites rather than whole molecules. The resulting formulation permits a large range of different association schemes to be incorporated into a single framework. The model allows association strengths to vary for different sizes of oligomer, but it reduces to a number of special cases, in particular the theory of Wertheim. The formulation is compatible with most equations of state. |
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ISSN: | 0378-3812 1879-0224 |
DOI: | 10.1016/j.fluid.2022.113534 |